4-methyl-1-methylsulfinylcyclohexene

C8H14OS — CID 123832009

IUPAC4-methyl-1-methylsulfinylcyclohexene
SMILESCC1CC=C(S(C)=O)CC1
InChIInChI=1S/C8H14OS/c1-7-3-5-8(6-4-7)10(2)9/h5,7H,3-4,6H2,1-2H3
InChIKeyOPDHHKDDGCBUCY-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.07
Rot. Bonds1

About 4-methyl-1-methylsulfinylcyclohexene

4-methyl-1-methylsulfinylcyclohexene (PubChem CID 123832009) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 4-methyl-1-methylsulfinylcyclohexene.

Molecular Properties

Compound Name4-methyl-1-methylsulfinylcyclohexene
PubChem CID123832009
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name4-methyl-1-methylsulfinylcyclohexene
SMILESCC1CC=C(S(C)=O)CC1
InChIInChI=1S/C8H14OS/c1-7-3-5-8(6-4-7)10(2)9/h5,7H,3-4,6H2,1-2H3
InChIKeyOPDHHKDDGCBUCY-UHFFFAOYSA-N
XLogP2.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4R)-2-methylsulfonylbicyclo[2.2.1]hept-2-ene
CID 15506632
(1R,3R,4S)-3-ethyl-2lambda4-thiabicyclo[2.2.1]hept-5-ene 2-oxide
CID 134896807
(6S)-6-methyl-1-methylsulfanylcyclohexene
CID 5325876
(3R)-3-methyl-1-methylsulfanylcyclohexene
CID 5325877
3-Methyl-1-methylsulfanylcyclohexene
CID 13056373
6-Methyl-1-methylsulfanylcyclohexene
CID 13056375
(1R,4S)-2-methylsulfinylbicyclo[2.2.1]hepta-2,5-diene
CID 15506619
(1S,4R)-2-methylsulfinylbicyclo[2.2.1]hept-2-ene
CID 15506631
(1S,3S,4R)-3-ethyl-2lambda4-thiabicyclo[2.2.1]hept-5-ene 2-oxide
CID 15940006
(1S,3R,4R)-3-ethyl-2lambda4-thiabicyclo[2.2.1]hept-5-ene 2-oxide
CID 21671486
4-Methyl-1-methylsulfonylcyclohexene
CID 21436434
3-Methyl-1-methylsulfonylcyclohexene
CID 21436437

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfinylcyclohexene?
The IUPAC name of 4-methyl-1-methylsulfinylcyclohexene (CID 123832009) is 4-methyl-1-methylsulfinylcyclohexene.
What is the SMILES notation for 4-methyl-1-methylsulfinylcyclohexene?
The canonical SMILES for 4-methyl-1-methylsulfinylcyclohexene is CC1CC=C(S(C)=O)CC1.
What is the InChIKey of 4-methyl-1-methylsulfinylcyclohexene?
The InChIKey is OPDHHKDDGCBUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-7-3-5-8(6-4-7)10(2)9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4-methyl-1-methylsulfinylcyclohexene?
4-methyl-1-methylsulfinylcyclohexene has a molecular weight of 158.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfinylcyclohexene is sourced from PubChem (CID 123832009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).